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Zolunicant

CAT: 0013-GTR19257409-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257409-02Size:50 mg
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Description
Zolunicant (MM-110) is a potent nicotinic α3β4 receptor inhibitor with an IC50 of 0.90 μM, showing promise in combating addiction. It effectively reduces self-administration of addictive agents such as morphine, cocaine, methamphetamine, nicotine, and ethanol in rat models, indicating its potential as a treatment for various forms of drug abuse. Additionally, Zolunicant exhibits strong leishmanicidal activity against Leishmania amazonensis, expanding its therapeutic prospects.
CAS Number
188125-42-0
Field of Research
Infectious Disease & Virology, Neuroscience
Smiles
C (OC) (=O) [C@]12[C@]3 ([N@] (CC (C1) (C[C@@H]3CCOC) [H]) CCC4=C2NC=5C4=CC=CC5) [H]
Molecular Formula
C22H28N2O3
Molecular Weight
368.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

18-Methoxycoronaridine

18-methoxycoronaridine is under investigation in clinical trial NCT03084952 (Phase 2 Trial to Evaluate 18-Methoxycoronaridine Efficacy, Safety and Tolerability in Cutaneous Leishmaniasis Patients).

CAS Number188125-42-0
PubChem CID15479177
IUPAC Namemethyl (1S,15R,17R,18S)-17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Molecular FormulaC22H28N2O3
Molecular Weight368.5
XLogP2.9
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity584
SMILES
COCC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
InChI
InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14-,15+,20+,22-/m1/s1
InChIKey
DTJQBBHYRQYDEG-SVBQBFEESA-N
Chemical Structure
2D Structure
2D structure of 18-Methoxycoronaridine
CAS: 188125-42-0
CID: 15479177
Formula: C22H28N2O3
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass368.20999276
Monoisotopic Mass368.20999276
Topological Polar Surface Area54.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T61452-01Zolunicant

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